2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

C21H23NO3S — CID 27652368

IUPAC2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUZFHHTMDPXWVGS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.75
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (PubChem CID 27652368) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
PubChem CID27652368
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUZFHHTMDPXWVGS-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
(2S)-4-(benzenesulfonyl)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylbutanamide
CID 11486607
(2R,3R)-N-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]-3-methyloxirane-2-carboxamide
CID 139625464
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
4-[methyl(naphthalen-2-ylmethyl)amino]butane-1-sulfonic acid
CID 8599863
[(2S)-1-hydroxy-3-(6-methoxynaphthalen-2-yl)propan-2-yl] benzenesulfonate
CID 88741781

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (CID 27652368) is 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is COc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The InChIKey is UZFHHTMDPXWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine has a molecular weight of 369.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 27652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).